5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide

C18H23BrN6O — CID 90354701

About 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide

5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide (PubChem CID 90354701) has the molecular formula C18H23BrN6O and a molecular weight of 419.33 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
• PubChem CID: 90354701
• Molecular Formula: C18H23BrN6O
• Molecular Weight: 419.33 g/mol
• Exact Mass: 418.11
• IUPAC Name: 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
• SMILES: Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)ccc1Br
• InChI: InChI=1S/C18H23BrN6O/c1-10-12(19)6-7-16(23-10)25-15-8-11(9-22-17(15)18(21)26)24-14-5-3-2-4-13(14)20/h6-9,13-14,24H,2-5,20H2,1H3,(H2,21,26)(H,23,25)/t13-,14+/m0/s1
• InChIKey: OVNLJTGRMWSZTD-UONOGXRCSA-N
• XLogP: 3.07
• TPSA: 118.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.33
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide?

The IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide (CID 90354701) is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide.

What is the SMILES notation for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide?

The canonical SMILES for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide is Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)ccc1Br.

What is the InChIKey of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide?

The InChIKey is OVNLJTGRMWSZTD-UONOGXRCSA-N. The full InChI is InChI=1S/C18H23BrN6O/c1-10-12(19)6-7-16(23-10)25-15-8-11(9-22-17(15)18(21)26)24-14-5-3-2-4-13(14)20/h6-9,13-14,24H,2-5,20H2,1H3,(H2,21,26)(H,23,25)/t13-,14+/m0/s1.

What are the key properties of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide?

5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide has a molecular weight of 419.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 90354701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).